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4-(Dimethylamino)-5-[(2,6-dimethylphenyl)amino]-3-[(ethoxycarbonyl)methyl]-2-(methylthio)thiazolium chloride
SpectraBase Compound ID Dgggly2uVCm
InChI InChI=1S/C18H26N3O2S2.ClH/c1-7-23-14(22)11-21-17(20(4)5)16(25-18(21)24-6)19-15-12(2)9-8-10-13(15)3;/h8-10,19H,7,11H2,1-6H3;1H/q+1;/p-1
InChIKey DIWGZGBVHSKQHH-UHFFFAOYSA-M
Mol Weight 416.0 g/mol
Molecular Formula C18H26ClN3O2S2
Exact Mass 415.115497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7M9xDs57Tbm
Name 4-(DIMETHYLAMINO)-5-[(2,6-DIMETHYLPHENYL)-AMINO]-3-[(ETHOXYCARBONYL)-METHYL]-2-(METHYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26ClN3O2S2
InChI InChI=1S/C18H26N3O2S2.ClH/c1-7-23-14(22)11-21-17(20(4)5)16(25-18(21)24-6)19-15-12(2)9-8-10-13(15)3;/h8-10,19H,7,11H2,1-6H3;1H/q+1;/p-1
InChIKey DIWGZGBVHSKQHH-UHFFFAOYSA-M
Literature Reference Author F.BERREE,Y.MALVAUT,E.MARCHAND,G.MOREL
Literature Reference Citation J.ORG.CHEM.,58,6022(1993)
Literature Reference DOI 10.1021/jo00074a032
Molecular Weight 415.996 g/mol
Solvent CDCl3
Source File Reference UWSP10190